2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

C24H23F3N4O2 — CID 57334108

IUPAC2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)c1
InChIInChI=1S/C24H23F3N4O2/c1-14-5-4-6-16(9-14)31-17(10-22(29-31)24(25,26)27)12-28-23(33)15(2)20-13-30(3)21-8-7-18(32)11-19(20)21/h4-11,13,15,32H,12H2,1-3H3,(H,28,33)
InChIKeyRKXIYWCDNDOUHR-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.82
Rot. Bonds5

About 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 57334108) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID57334108
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCc1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)c1
InChIInChI=1S/C24H23F3N4O2/c1-14-5-4-6-16(9-14)31-17(10-22(29-31)24(25,26)27)12-28-23(33)15(2)20-13-30(3)21-8-7-18(32)11-19(20)21/h4-11,13,15,32H,12H2,1-3H3,(H,28,33)
InChIKeyRKXIYWCDNDOUHR-UHFFFAOYSA-N
XLogP4.82
TPSA72.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 57334108) is 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is Cc1cccc(-n2nc(C(F)(F)F)cc2CNC(=O)C(C)c2cn(C)c3ccc(O)cc23)c1.
What is the InChIKey of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is RKXIYWCDNDOUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-14-5-4-6-16(9-14)31-17(10-22(29-31)24(25,26)27)12-28-23(33)15(2)20-13-30(3)21-8-7-18(32)11-19(20)21/h4-11,13,15,32H,12H2,1-3H3,(H,28,33).
What are the key properties of 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 456.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-1-methylindol-3-yl)-N-[[1-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 57334108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).